N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
Formula:C16H11N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide |
| MolecularFormula | C16H11N4O2Cl |
| Smiles | O=C(c1ccccc1)N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Cl |
| InChI | InChI=1S/C16H11ClN4O2/c17-14-12(16(23)21-9-5-4-8-13(21)19-14)10-18-20-15(22)11-6-2-1-3-7-11/h1-10H,(H,20,22) |
| InChIK | ZRPKBXVDDGWMCU-UHFFFAOYSA-N |
| TotalMolweight | 326.742 |
| Molweight | 326.742 |
| MonoisotopicMass | 326.057053 |
| CLogP | 1.2373 |
| CLogS | -3.789 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.59 |
| Relative PSA | 0.26427 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 6.5775 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide | 2 - N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
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